Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c7109cbd9063405c2c8c2e856b3c1d34",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 126.098,
"b": 134.087,
"c": 126.640,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.93,2.350],
"number_observations_unique": 44412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations_unique": 4397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.3
}
]
},
{
"resolution_limits": [2.530,2.430],
"number_observations_unique": 4385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
}
]
},
{
"resolution_limits": [2.650,2.530],
"number_observations_unique": 4392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [2.790,2.650],
"number_observations_unique": 4438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [2.960,2.790],
"number_observations_unique": 4404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [3.190,2.960],
"number_observations_unique": 4440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [3.510,3.190],
"number_observations_unique": 4417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.2
}
]
},
{
"resolution_limits": [4.020,3.510],
"number_observations_unique": 4397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 10.3
}
]
},
{
"resolution_limits": [5.060,4.020],
"number_observations_unique": 4502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [45.93,5.060],
"number_observations_unique": 4640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 11.9
}
]
}
]
}